(2S,3S)-2-(aminocarbonylamino)-N-(1,3-benzothiazol-2-yl)-3-methyl-pentanamide

Systemtic Name: (2S,3S)-2-(aminocarbonylamino)-N-(1,3-benzothiazol-2-yl)-3-methyl-pentanamide Openeye Name: (2S,3S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-ureido-pentanamide CAS Name: (2S,3S)-N-(1,3-benzothiazol-2-yl)-2-(carbamoylamino)-3-methylpentanamide IUPAC Name: (2S,3S)-N-(1,3-benzothiazol-2-yl)-2-(carbamoylamino)-3-methylpentanamide Traditional Name: (2S,3S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-ureido-valeramide Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)N

InChI

InChI=1S/C14H18N4O2S/c1-3-8(2)11(17-13(15)20)12(19)18-14-16-9-6-4-5-7-10(9)21-14/h4-8,11H,3H2,1-2H3,(H3,15,17,20)(H,16,18,19)/t8-,11-/m0/s1